Molecule
ID:98371
General Information
Molecular Formula
C₉H₁₁FO
Molecular Mass
154.1814432
Exact Mass
154.07939319
Charge
0
InChI
InChI=1S/C9H11FO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4,11H,5H2,1-2H3
InChIKey
UKQSZVFDOPDBJD-UHFFFAOYSA-N
Canonic Smiles
OCc1c(C)cc(cc1C)F
Isomeric Smiles
OCc1c(cc(cc1C)F)C
Calculated Properties
JChem
Acid pKa
14.998311
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3754408
LogD (pH = 7.4)
2.3754408
Log P
2.3754408
Molar Refractivity
43.1727
Polarizability
15.974073
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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